methyl 3,4,5-triacetyloxy-6-carbamimidoylsulfanyl-oxane-2-carboxylate hydrobromide

Systemtic Name: methyl 3,4,5-triacetyloxy-6-carbamimidoylsulfanyl-oxane-2-carboxylate hydrobromide Openeye Name: methyl 3,4,5-triacetoxy-6-carbamimidoylsulfanyl-tetrahydropyran-2-carboxylate hydrobromide CAS Name: 3,4,5-triacetyloxy-6-(carbamimidoylthio)-2-oxanecarboxylic acid methyl ester hydrobromide IUPAC Name: methyl 3,4,5-triacetyloxy-6-carbamimidoylsulfanyloxane-2-carboxylate hydrobromide Traditional Name: 3,4,5-triacetoxy-6-(amidinothio)tetrahydropyran-2-carboxylic acid methyl ester hydrobromide Formula: C14H21BrN2O9S MolecularWeight: 473.29354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)SC(=N)N)C(=O)OC)OC(=O)C.Br

Isomeric SMILES

CC(=O)OC1C(C(OC(C1OC(=O)C)SC(=N)N)C(=O)OC)OC(=O)C.Br

InChI

InChI=1S/C14H20N2O9S.BrH/c1-5(17)22-8-9(23-6(2)18)11(24-7(3)19)13(26-14(15)16)25-10(8)12(20)21-4;/h8-11,13H,1-4H3,(H3,15,16);1H